4-(4-ethoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine

C16H20N2O3 — CID 66199845

IUPAC4-(4-ethoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
SMILESCCOc1ccc(-c2c(N)noc2C2CCCOC2)cc1
InChIInChI=1S/C16H20N2O3/c1-2-20-13-7-5-11(6-8-13)14-15(21-18-16(14)17)12-4-3-9-19-10-12/h5-8,12H,2-4,9-10H2,1H3,(H2,17,18)
InChIKeyLXOSZDRBNXMZRB-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.22
Rot. Bonds4

About 4-(4-ethoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine

4-(4-ethoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine (PubChem CID 66199845) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
PubChem CID66199845
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-(4-ethoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
SMILESCCOc1ccc(-c2c(N)noc2C2CCCOC2)cc1
InChIInChI=1S/C16H20N2O3/c1-2-20-13-7-5-11(6-8-13)14-15(21-18-16(14)17)12-4-3-9-19-10-12/h5-8,12H,2-4,9-10H2,1H3,(H2,17,18)
InChIKeyLXOSZDRBNXMZRB-UHFFFAOYSA-N
XLogP3.22
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-ethoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine (CID 66199845) is 4-(4-ethoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-ethoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-ethoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine is CCOc1ccc(-c2c(N)noc2C2CCCOC2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine?
The InChIKey is LXOSZDRBNXMZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-20-13-7-5-11(6-8-13)14-15(21-18-16(14)17)12-4-3-9-19-10-12/h5-8,12H,2-4,9-10H2,1H3,(H2,17,18).
What are the key properties of 4-(4-ethoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine?
4-(4-ethoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine has a molecular weight of 288.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).